Simulations of membranes and other interfacial systems using P2(1) and Pc periodic boundary conditions.
暂无分享,去创建一个
Bernard R Brooks | B. Brooks | R. Pastor | R. Venable | Richard W Pastor | Richard M Venable | Elizabeth A Dolan
[1] M S Sansom,et al. Membrane simulations: bigger and better? , 2000, Current opinion in structural biology.
[2] B. Brooks,et al. Effect of Electrostatic Force Truncation on Interfacial and Transport Properties of Water , 1996 .
[3] D Eisenberg,et al. The structure of melittin. II. Interpretation of the structure. , 1982, Journal of Biological Chemistry.
[4] Alexander D. MacKerell,et al. An Improved Empirical Potential Energy Function for Molecular Simulations of Phospholipids , 2000 .
[5] B. Roux,et al. Molecular dynamics simulation of melittin in a dimyristoylphosphatidylcholine bilayer membrane. , 1998, Biophysical journal.
[6] B. Roux,et al. Molecular dynamics simulation of the gramicidin channel in a phospholipid bilayer. , 1994, Proceedings of the National Academy of Sciences of the United States of America.
[7] Daniel Huster,et al. Interpretation of NOESY Cross-Relaxation Rates from Molecular Dynamics Simulation of a Lipid Bilayer , 1999 .
[8] Bernard R. Brooks,et al. Computer simulation of liquid/liquid interfaces. I. Theory and application to octane/water , 1995 .
[9] R. Pastor,et al. On simulating lipid bilayers with an applied surface tension: periodic boundary conditions and undulations. , 1996, Biophysical journal.
[10] Y. Shai,et al. Mechanism of the binding, insertion and destabilization of phospholipid bilayer membranes by alpha-helical antimicrobial and cell non-selective membrane-lytic peptides. , 1999, Biochimica et biophysica acta.
[11] G. Ciccotti,et al. Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes , 1977 .
[12] Richard W. Pastor,et al. Constant surface tension simulations of lipid bilayers: The sensitivity of surface areas and compressibilities , 1999 .
[13] Richard W. Pastor,et al. Computer Simulation of a DPPC Phospholipid Bilayer: Structural Changes as a Function of Molecular Surface Area , 1997 .
[14] Benoît Roux,et al. Biological membranes : a molecular perspective from computation and experiment , 1996 .
[15] Alexander D. MacKerell,et al. Molecular dynamics simulation of unsaturated lipid bilayers at low hydration: parameterization and comparison with diffraction studies. , 1997, Biophysical journal.
[16] B. Pettitt,et al. A new boundary condition for computer simulations of interfacial systems , 2000 .
[17] J. Dufourcq,et al. Molecular details of melittin-induced lysis of phospholipid membranes as revealed by deuterium and phosphorus NMR. , 1986, Biochemistry.
[18] J. Nagle,et al. Structure of lipid bilayers. , 2000, Biochimica et biophysica acta.
[19] Hoover,et al. Canonical dynamics: Equilibrium phase-space distributions. , 1985, Physical review. A, General physics.
[20] Bernard Pettitt,et al. Grand canonical ensemble molecular dynamics simulations: Reformulation of extended system dynamics approaches , 1997 .
[21] B. Brooks,et al. Constant pressure molecular dynamics simulation: The Langevin piston method , 1995 .
[22] M. Degroot,et al. Probability and Statistics , 2021, Examining an Operational Approach to Teaching Probability.
[23] Wei Zu Chen,et al. Constructing the suitable initial configuration of the membrane-protein system in molecular dynamics simulations , 1999, European Biophysics Journal.
[24] Bernard R. Brooks,et al. Solvent-Induced Forces between Two Hydrophilic Groups , 1994 .
[25] W. L. Jorgensen,et al. Comparison of simple potential functions for simulating liquid water , 1983 .
[26] M S Sansom,et al. Simulation studies of the interaction of antimicrobial peptides and lipid bilayers. , 1999, Biochimica et biophysica acta.
[27] M. Karplus,et al. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations , 1983 .
[28] S. White,et al. Structure, location, and lipid perturbations of melittin at the membrane interface. , 2001, Biophysical journal.
[29] M. Ala-Korpela,et al. Structure and dynamic properties of diunsaturated 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphatidylcholine lipid bilayer from molecular dynamics simulation. , 1997, Biophysical journal.
[30] R. Pastor,et al. Time Scales of Lipid Dynamics and Molecular Dynamics , 1996 .
[31] R. Pastor,et al. Computer simulation of liquid/liquid interfaces. II. Surface tension-area dependence of a bilayer and monolayer , 1995 .
[32] B. Bechinger,et al. The structure, dynamics and orientation of antimicrobial peptides in membranes by multidimensional solid-state NMR spectroscopy. , 1999, Biochimica et biophysica acta.